Materials Data on LaMgNi4 by Materials Project

Dataset · Tue Jul 14 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1206430· OSTI ID:1206430

The Materials Project

LaMgNi4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to four equivalent La and twelve equivalent Ni atoms. All Mg–La bond lengths are 3.08 Å. All Mg–Ni bond lengths are 2.95 Å. La is bonded in a 12-coordinate geometry to four equivalent Mg and twelve equivalent Ni atoms. All La–Ni bond lengths are 2.96 Å. Ni is bonded to three equivalent Mg, three equivalent La, and six equivalent Ni atoms to form a mixture of edge, corner, and face-sharing NiLa3Mg3Ni6 cuboctahedra. There are three shorter (2.48 Å) and three longer (2.55 Å) Ni–Ni bond lengths.

• Research Organization: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES)
• Contributing Organization: MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231; EDCBEE
• OSTI ID: 1206430
• Report Number(s): mp-3289
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
LaMgNi4
La-Mg-Ni